SCHEMBL29045853

SCHEMBL29045853

O=C(Cl)Cl.O=C(Nc1ccc(Oc2ccncc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.70
KDR P35968 9/20 0.70
BRAF P15056 4/20 0.68
CDK8 P49336 2/20 0.68
MAPK14 Q16539 2/20 0.68
TNNI3K Q59H18 2/20 0.68
MEN1 O00255 1/20 0.68
PLK4 O00444 1/20 0.68
CIT O14578 1/20 0.68
AURKA O14965 1/20 0.68
MUSK O15146 1/20 0.68
EPHB6 O15197 1/20 0.68
MAPK13 O15264 1/20 0.68
MLNR O43193 1/20 0.68
MAP3K7 O43318 1/20 0.68
RIPK2 O43353 1/20 0.68
DYRK3 O43781 1/20 0.68
PDE6D O43924 1/20 0.68
NR1I2 O75469 1/20 0.68
STK10 O94804 1/20 0.68

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30462521 0.98 RAF1 (0.73) RAF1KDRBRAFCDK8MAPK14
SCHEMBL936533 0.98 RAF1 (0.73) RAF1KDRBRAFCDK8MAPK14
SCHEMBL6030563 0.91 RAF1 (0.64) RAF1KDRBRAFCDK8MAPK14
SCHEMBL13648125 0.89 RAF1 (0.62) RAF1KDRBRAFCDK8MAPK14
SCHEMBL5634874 0.88 RAF1 (0.61) RAF1KDRBRAFCDK8MAPK14
SCHEMBL3711970 0.86 RAF1 (0.77) RAF1KDRBRAFCDK8MAPK14
SCHEMBL28948534 0.86 RAF1 (0.83) RAF1KDRBRAFCDK8MAPK14
SCHEMBL104548 0.86 CA7 (0.63) RAF1KDRBRAFCDK8MAPK14
SCHEMBL13556629 0.85 RAF1 (0.72) RAF1KDRBRAFCDK8MAPK14
SCHEMBL16628062 0.85 RAF1 (0.76) RAF1KDRBRAFCDK8MAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114767714-B Nanometer preparation of alkynyl-modified sorafenib derivative and silver wrapped by pore material, preparation method and application thereof 济南大学 2023-06-20 CN disclosed